SCHEMBL473692

SCHEMBL473692

C[Sn](C)(C)c1cc(Cl)ncc1Cl

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
KCNE1 P15382 1/20 0.31
KCNQ1 P51787 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30528380 1.00 KCNQ3 (0.31) KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL727359 0.75
SCHEMBL29449468 0.75
SCHEMBL2215917 0.74 KMO (0.42)
SCHEMBL32681746 0.72 GABRP (0.33) KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL828274 0.69
SCHEMBL14941503 0.64 NNMT (0.34)
SCHEMBL2714951 0.64 MEN1 (0.32)
SCHEMBL30503613 0.64 NPC1 (0.43)
SCHEMBL2737360 0.64 GABRA1 (0.37)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116600803-A Macrocyclic urea orexin receptor agonists 默沙东有限责任公司 2023-08-15 CN disclosed
US-20120208809-A1 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-08-16 US disclosed
EP-2411389-A2 9H-PYRROLO[2,3-B: 5,4-C']DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-01 EP disclosed
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 US disclosed
WO-2011070298-A1 DI-SUBSTITUTED 9H-PYRIDO[3,4-B]INDOLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-06-16 WO disclosed
WO-2010109084-A2 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME AOC3, CBR3, IDH3B KCNQ3 2985/4885KCNQ2 4294/4885KCNE1 3433/4885
US-20120208809-A1 9H-PYRROLO[2,3-B: 5,4-C'] DIPYRIDINE AZACARBOLINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NPR3, CCNH, CBR3 KCNQ3 1182/4885KCNQ2 2339/4885KCNE1 2126/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.